1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene

C15H12Br2F2 — CID 11516639

IUPAC1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)CC(Br)c2ccccc2F)cc1
InChIInChI=1S/C15H12Br2F2/c16-13(10-5-7-11(18)8-6-10)9-14(17)12-3-1-2-4-15(12)19/h1-8,13-14H,9H2
InChIKeyYHMHDUHKCCTWTH-UHFFFAOYSA-N
MW390.07 g/mol
LogP5.93
Rot. Bonds4

About 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene

1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene (PubChem CID 11516639) has the molecular formula C15H12Br2F2 and a molecular weight of 390.07 g/mol. Its IUPAC name is 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene
PubChem CID11516639
Molecular FormulaC15H12Br2F2
Molecular Weight390.07 g/mol
Exact Mass387.93
IUPAC Name1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene
SMILESFc1ccc(C(Br)CC(Br)c2ccccc2F)cc1
InChIInChI=1S/C15H12Br2F2/c16-13(10-5-7-11(18)8-6-10)9-14(17)12-3-1-2-4-15(12)19/h1-8,13-14H,9H2
InChIKeyYHMHDUHKCCTWTH-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.07
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene?
The IUPAC name of 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene (CID 11516639) is 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene?
The canonical SMILES for 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene is Fc1ccc(C(Br)CC(Br)c2ccccc2F)cc1.
What is the InChIKey of 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene?
The InChIKey is YHMHDUHKCCTWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2/c16-13(10-5-7-11(18)8-6-10)9-14(17)12-3-1-2-4-15(12)19/h1-8,13-14H,9H2.
What are the key properties of 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene?
1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene has a molecular weight of 390.07 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dibromo-3-(2-fluorophenyl)propyl]-4-fluorobenzene is sourced from PubChem (CID 11516639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).